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D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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Os
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Rh
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Ox. State
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#2758
Ru(2)
donors: {"O": 1, "N": 2}
C/C=C/c1ccc(OC)cc1.NCCN.[Cl-]
10 meas.
MOL
3D
#2757
Ru(2)
donors: {"O": 1, "N": 2}
C/C=C/c1ccccc1OC.NCCN.[Cl-]
3 meas.
MOL
3D
#2756
Ru(2)
donors: {"N": 2, "S": 1}
Cc1ccc(C(C)C)cc1.NC(=O)C1CCN(C(=S)[S-])CC1.[Cl-]
3 meas.
MOL
3D
#2755
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.OCCNc1c(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F
9 meas.
MOL
3D
#2754
Ru(2)
donors: {"N": 6}
OCCNc1c(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
9 meas.
MOL
3D
#2753
Ru(2)
donors: {"O": 2, "N": 2}
[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
2 meas.
MOL
3D
#2752
Ru(2)
donors: {"N": 5}
CC(C)n1ccn(-c2cccc(-n3ccn(C(C)C)c3=S)n2)c1=S.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#2751
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Cn1ccn(Cc2cccc(Cn3ccn(C)c3=S)n2)c1=S
2 meas.
MOL
3D
#2750
Ru(2)
donors: {"N": 4}
CCn1ccn(Cn2ccn(CC)c2=S)c1=S.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2749
Ru(2)
donors: {"N": 4}
CCCn1ccn(CCn2ccn(CCC)c2=S)c1=S.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2748
Ru(2)
donors: {"N": 4}
CCn1ccn(CCn2ccn(CC)c2=S)c1=S.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2747
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cn1ccn(CCn2ccn(C)c2=S)c1=S.[Cl-]
2 meas.
MOL
3D
#2746
Ru(2)
donors: {"N": 6}
c1ccc([P+](CCCCCCCCCCCCOCc2ccnc(-c3cc(COCCCCCCCCCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccn3)c2)(c2ccccc2)c2ccccc2)cc1.c1cc...
9 meas.
MOL
3D
#2745
Ru(2)
donors: {"N": 6}
c1ccc([P+](CCCCCCCCCOCc2ccnc(-c3cc(COCCCCCCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccn3)c2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+]...
9 meas.
MOL
3D
#2744
Ru(2)
donors: {"N": 6}
c1ccc([P+](CCCCCCOCc2ccnc(-c3cc(COCCCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccn3)c2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](CCCCC...
9 meas.
MOL
3D
#2743
Ru(2)
donors: {"N": 6}
c1ccc([P+](CCCOCc2ccnc(-c3cc(COCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccn3)c2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](CCCOCc2ccnc...
9 meas.
MOL
3D
#2742
Ru(2)
donors: {"N": 6}
Cc1ncc[nH]1.Cc1ncc[nH]1.N#[O+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2741
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ncc[nH]1.Cc1ncc[nH]1.O=N[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2740
Ru(2)
donors: {"N": 8}
Cc1ncc[nH]1.Cc1ncc[nH]1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2739
Ru(2)
donors: {"N": 8}
Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1C
2 meas.
MOL
3D
#2738
Ru(2)
donors: {"N": 8}
Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1C.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2737
Ru(2)
donors: {"N": 4, "O": 1}
C=Cc1c(C)c2cc3nc(cc4[n-]c(cc5nc(cc1[n-]2)C1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CCC(=O)OC)C(CCC(=O)OC)=C3C.[C-]#[O+]
1 meas.
MOL
3D
#2736
Ru(2)
donors: {"N": 4, "O": 1}
C=Cc1c(C)c2cc3nc(cc4[n-]c(cc5nc(cc1[n-]2)C(C)=C5CCC(=O)OC)c(CCC(=O)OC)c4C)C1(C)C3=CCC(C(=O)OC)=C1C(=O)OC.[C-]#[O+]
1 meas.
MOL
3D
#2735
Ru(2)
donors: {"N": 4, "O": 1}
C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)OCc1ccccc1)C(CCC(=O)OCc1ccccc1)=C4C)c(C)c3C=C.[C-]#[O+]
1 meas.
MOL
3D
#2734
Ru(2)
donors: {"N": 4, "O": 1}
C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3C=C.[C-]#[O+]
1 meas.
MOL
3D
#2733
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.Nc1ccncc1.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
1 meas.
MOL
3D
#2732
Ru(2)
donors: {"N": 7}
Cc1ccc(C(C)C)cc1.Nc1ncccn1.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
1 meas.
MOL
3D
#2731
Ru(2)
donors: {"N": 7}
Cc1ccc(C(C)C)cc1.Nc1cnccn1.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
1 meas.
MOL
3D
#2730
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1ccncc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2729
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1ncccn1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2728
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1cnccn1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2727
Ru(2)
donors: {"N": 2}
CCOC(=O)c1ccnc(-c2cc(C)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2726
Ru(2)
donors: {"N": 2}
C=C(C)C1CC[C@]2(COC(=O)c3ccnc(-c4cc(C)ccn4)c3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]...
4 meas.
MOL
3D
#2725
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(-c3nc4c([nH]3)-c3cccc5cccc-4c35)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2724
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(-c3nc4ccccc4[nH]3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2723
Ru(2)
donors: {"N": 8}
c1ccc(C2N=C(c3cc4cccnc4c4ncccc34)NC2c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2722
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(C2N=C(c3cc4cccnc4c4ncccc34)NC2c2ccccc2)cc1
2 meas.
MOL
3D
#2721
Ru(2)
donors: {"N": 8}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=C1c2ccccc2-c2nc3c4cccnc4c4ncccc4c3nc21
4 meas.
MOL
3D
#2720
Ru(2)
donors: {"N": 8}
O=C1c2ccccc2-c2nc3c4cccnc4c4ncccc4c3nc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2719
Ru(2)
donors: {"N": 6}
CCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCN.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
2 meas.
MOL
3D
#2718
Ru(2)
donors: {"N": 5}
CCCCCCCCCCCCCCCCN.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-]
2 meas.
MOL
3D
#2717
Ru(2)
donors: {"N": 5, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(c2ccccc2)c2nc3c4ccccc4c4ccccc4c3nc2P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2716
Ru(2)
donors: {"N": 5, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(c2ccccc2)c2nc3ccccc3nc2P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2715
Ru(2)
donors: {"N": 3, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(c2ccccc2)c2c(-c3cccs3)sc(-c3cccs3)c2P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2714
Ru(2)
donors: {"N": 3, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2713
Ru(2)
donors: {"P": 2, "N": 3}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.NC1CC(N)CC(N)C1.[Cl-]
2 meas.
MOL
3D
#2712
Ru(2)
donors: {"N": 3, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2711
Ru(2)
donors: {"N": 3, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2710
Ru(2)
donors: {"N": 3, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2709
Ru(2)
donors: {"N": 3, "P": 2}
NC1CC(N)CC(N)C1.[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
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87/142 (7058 total)